Geometry & MOs

Info

ID:	7293
PubChem CID:	72036
Reduced:	FNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	195.069557
ΔH_f, kcal/mol:	-89.22
Dipole, Da:	1.56
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](CN1)OC3=C(O2)C=CC=C3F

DOS

IR

Vibrations